cycloheptyl-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: cycloheptyl-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methanone Openeye Name: cycloheptyl-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone CAS Name: cycloheptyl-[4-[[1-(2-ethylphenyl)-5-[4-(methylthio)phenyl]-3-pyrazolyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: cycloheptyl-[4-[1-(2-ethylphenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone Traditional Name: cycloheptyl-[4-[1-(2-ethylphenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carbonyl]piperazino]methanone Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4CCCCCC4)C5=CC=C(C=C5)SC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4CCCCCC4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C31H38N4O2S/c1-3-23-10-8-9-13-28(23)35-29(24-14-16-26(38-2)17-15-24)22-27(32-35)31(37)34-20-18-33(19-21-34)30(36)25-11-6-4-5-7-12-25/h8-10,13-17,22,25H,3-7,11-12,18-21H2,1-2H3